2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

C11H22N2O3 — CID 79800950

IUPAC2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-11(4,9(14)15)12-10(16)13(5)7-8(2)3/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyDSDYYBYBNBSJNK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.54
Rot. Bonds5

About 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid

2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (PubChem CID 79800950) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
PubChem CID79800950
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6-11(4,9(14)15)12-10(16)13(5)7-8(2)3/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyDSDYYBYBNBSJNK-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
(2R)-3,3-dimethyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 103927599
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid (CID 79800950) is 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is CCC(C)(NC(=O)N(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The InChIKey is DSDYYBYBNBSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-11(4,9(14)15)12-10(16)13(5)7-8(2)3/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79800950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).